⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL22868392 | 0.74 | MCL1 (0.32) | — | |
| SCHEMBL24368612 | 0.73 | RAB9A (0.37) | — | |
| SCHEMBL22671668 | 0.72 | — | — | |
| SCHEMBL27437055 | 0.68 | ALOX5 (0.31) | — | |
| SCHEMBL21763221 | 0.68 | — | — | |
| SCHEMBL19544820 | 0.67 | HDAC8 (0.35) | — | |
| SCHEMBL25654631 | 0.67 | CYP11B1 (0.37) | — | |
| SCHEMBL22107965 | 0.67 | CYP11B1 (0.30) | — | |
| SCHEMBL22671714 | 0.66 | GPR84 (0.31) | — | |
| SCHEMBL19991630 | 0.65 | PPARG (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220209120-A1 | ORGANIC LIGHT EMITTING DEVICE | LG DISPLAY CO., LTD. (KR) | 2022-06-30 | — | — | US | disclosed |